3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethoxy]benzonitrile CAS Name: 3-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]benzonitrile Traditional Name: 3-[2-(4-benzylpiperazino)-2-keto-ethoxy]benzonitrile Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H21N3O2/c21-14-18-7-4-8-19(13-18)25-16-20(24)23-11-9-22(10-12-23)15-17-5-2-1-3-6-17/h1-8,13H,9-12,15-16H2